Chemical ID: 6153098

Cc1ccc(c(c1)C)NC(=O)C2CC(=O)N(C(=Nc3ccc(c(c3)Cl)OC)S2)C
Chemical ID:
6153098
Name [?]:
2-(3-chloro-4-methoxy-phenyl)imino-N-(2,4-dimethylphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)C2CC(=O)N(C(=Nc3ccc(c(c3)Cl)OC)S2)C
InChi [?]:
InChI=1/C21H22ClN3O3S/c1-12-5-7-16(13(2)9-12)24-20(27)18-11-19(26)25(3)21(29-18)23-14-6-8-17(28-4)15(22)10-14/h5-10,18H,11H2,1-4H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,8,29,27,3,20,4,21,7,24,13,2,6,19,23,5,22,12,14,10,17,25,18,9,16,15,11,26,28/rA:29cCCCCCCCCNCOCCCONCNCCCCCCClOCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s23;s22;s26;s12s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22ClN3O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.0351
Area:638.567
Solvation:-4.92911
Coulombic:-48.532
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:431.936
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.06
LogP (Chemaxon):4.42

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Descriptor Annotations

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